Molecule

ID:52304

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
InChIKey
HUIYGGQINIVDNW-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(N)cccc1)OCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
3.12
LogD (pH = 5.5)
3.12
Log P
3.12
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.22
Polar Surface Area
52.32
Polarizability
21.77
Molar Refractivity
56.66
LOG S
-2.80
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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